methyl 3-[4-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butyl]-4-ethyl-2-methyl-5-sulfanylidene-1,3-oxathiolan-2-yl]propanoate

Systemtic Name: methyl 3-[4-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butyl]-4-ethyl-2-methyl-5-sulfanylidene-1,3-oxathiolan-2-yl]propanoate Openeye Name: methyl 3-[4-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butyl]-4-ethyl-2-methyl-5-thioxo-1,3-oxathiolan-2-yl]propanoate CAS Name: 3-[4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butyl]-4-ethyl-2-methyl-5-sulfanylidene-1,3-oxathiolan-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butyl]-4-ethyl-2-methyl-5-sulfanylidene-1,3-oxathiolan-2-yl]propanoate Traditional Name: 3-[4-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butyl]-4-ethyl-2-methyl-5-thioxo-1,3-oxathiolan-2-yl]propionic acid methyl ester Formula: C25H36O6S2 MolecularWeight: 496.67974

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2(C(=S)OC(S2)(C)CCC(=O)OC)CC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2(C(=S)OC(S2)(C)CCC(=O)OC)CC

InChI

InChI=1S/C25H36O6S2/c1-6-10-19-20(12-11-18(17(3)26)22(19)28)30-16-9-8-14-25(7-2)23(32)31-24(4,33-25)15-13-21(27)29-5/h11-12,28H,6-10,13-16H2,1-5H3